Application – Page 59

N,N’-bisalicylin-1,2-propanediamine

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	028B
Molecular formula	C17H18N2O2
Molecular weight	282.34
label	N,N’-Disalicylic aldehyde acetyl-1,2-propanediamine, N,N’-bisalicylic acid-1,2-propanediamine, N,N’-Bis(o-hydroxybenzylidene)-1,2-diaminopropane

Numbering system

CAS number:94-91-7

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: yellow oily liquid.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 48

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa , ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15 . Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Miscible with ethanol and benzene, soluble in toluene and diamine Toluene and gasoline are insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 4560mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 83.42

2. Molar volume (cm³/mol): 252.3

3. Isotonic specific volume (90.2K ): 644.4

4. Surface tension (dyne/cm): 42.5

5. Polarizability (10-24cm3): 33.07

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 9

6. Topological molecular polar surface area (TPSA): 58.2

p>

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 604

10. Number of isotope atoms : 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. DeterminedNumber of stereocenters of chemical bonds: 2

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Metal passivators have two applications in the oil refining industry. (1) Substances used to inhibit the catalytic effect of active metal ions (copper, iron, nickel, manganese, etc.) on oil oxidation. It is often used in combination with antioxidants in light fuels such as gasoline, jet fuel, and diesel to improve the stability of the oil and extend the storage period. Commonly used ones include N,N’-disalicylidenepropanediamine. (2) In the catalytic cracking of heavy oil, antimony compounds are commonly used as substances used to inhibit the influence of heavy metals (nickel, vanadium, copper, etc.) contained in the oil on the catalyst activity.

2-ethoxy-5-(1-propenyl)phenol

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	028A
Molecular formula	C11H14O2
Molecular weight	178.23
label	2-ethoxy-5-(1-propenyl)phenol, 1-ethoxy-2-hydroxy-4-isopropylenebenzene, Rich and fragrant vanillin, Propenylguaethol, C2H5OC6H3(CH=CHCH3)OH

Numbering system

CAS number:94-86-0

MDL number:MFCD00009283

EINECS number:202-370-0

RTECS number:SL3850000

BRN number:None

PubChem number:24853639

Physical property data

1. Properties: scaly white crystals or powder. It has a strong aroma similar to vanillin.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 86-88

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in most vegetable oils, edible solvents and essential oils , extremely difficult to dissolve in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 2400mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.33

2. Molar volume (cm³/mol): 169.3

3. Isotonic specific volume (90.2K ): 421.6

4. Surface tension (dyne/cm): 38.4

5. Polarizability (10-24cm3): 21.93

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 29.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 166

10 , Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. The number of stereocenters of determined chemical bonds: 1

14. The number of stereocenters of uncertain chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

It is produced by alkaline hydrolysis of 1-ethoxy-2-methoxy-4-propenylbenzene in ethanol or methanol solution at 150~190℃ and under pressure; or in ethylene glycol solution at normal pressure Hydrolyzed by heating.

Purpose

GB 2760-1996 stipulates that edible spices are temporarily allowed to be used. Mainly used as vanillin substitute and preparation of chocolate flavor.

2,5-diethoxyaniline

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	0289
Molecular formula	C10H15NO2
Molecular weight	181.24
label	(C2H5O)2C6H3NH2

Numbering system

CAS number:94-85-9

MDL number:MFCD00015144

EINECS number:202-369-5

RTECS number:None

BRN number:880466

PubChem number:24874398

Physical property data

1. Characteristics: Undetermined

2. Density (g/mL, 20℃): 1.034

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): 85-88

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point ( ºC, 30mmHg): 190-192

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation Degree (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC) : Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 53.11

2. Molar volume (cm³/mol): 172.7

3. Isotonic specific volume (90.2K ): 426.0

4. Surface tension (dyne/cm): 37.0

5. Polarizability (10-24cm3): 21.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 44.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

used forOrganic Synthesis.

4-(4-Chloro-2-methylphenoxy)butyric acid

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	0287
Molecular formula	C11H13ClO3
Molecular weight	228
label	2-Methyl-4-chlorobutyric acid, 2-Methyl-4-chlorophenoxybutyric acid, Bexone, Thitrol, Trifolex, herbicide

Numbering system

CAS number:94-81-5

MDL number:MFCD00002820

EINECS number:202-365-3

RTECS number:ES8575000

BRN number:2215202

PubChem number:24862225

Physical property data

1. Properties: Crystalline solid.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 99～100

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Insoluble in water, phenol, soluble in ethanol.

Toxicological data

1. Acute toxicity: Rat oral LD50: 680mg/kg; Mouse oral LD50: 800mg/kg;

2. Mutagenicity

Yeast gene conversion And mitotic recombination: 13500μmol/L;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 58.11

2. Molar volume (cm³/mol): 185.8

3. Isotonic specific volume (90.2K ): 478.6

4. Surface tension (dyne/cm): 44.0

5. Polarizability (10-24cm3): 23.03

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 208

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

This product is produced by the reaction of 2-methyl-4-chlorophenol and γ-butyrolactone.

Purpose

Used as agricultural herbicide.

(-)-(R)-Adrenaline hydrogenated tartrate monohydrate

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	014R
Molecular formula	C12H17NO9
Molecular weight	319.27
label	L-Norepinephrine Bitartrate, L-Norepinephrine Bitartrate, C8H11NO3·C4H6O6

Numbering system

CAS number:51-40-1

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

1, acute toxicity: rat subcutaneous LD50: 3987 ug/kg; rat intravenous LD50: 210 ug/kg; mouse abdominal cavity LD50: 26800ug/kg; mouse vein LD50: 1025ug/kg;

2, mutagenicity: somatic mutation in mammals cellsTEST system: rodents – mouse lymphocytes: 100mg/L

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 8

3. Number of hydrogen bond acceptors: 10

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 10

6. Topological molecular polar surface area (TPSA):202

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 276

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 3

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

2,4-D-butyl ester

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	0286
Molecular formula	C12H14Cl2O3
Molecular weight	277.14
label	2,4-D butyl ester, 2,4-butyl ester, 2,4-Dichlorophenoxyacetate butyl ester, 2,4-Dichlorophenoxyacetic acid n-butyl ester, 2,4-D butyl ester, Fernesta, Lironox, Butapon, herbicide

Numbering system

CAS number:94-80-4

MDL number:MFCD00126845

EINECS number:202-364-8

RTECS number:AG8050000

BRN number:2056085

PubChem number:24869301

Physical property data

1. Properties: The pure product is a colorless oily liquid, and the crude oil is a brown liquid.

2. Density (g/mL, 20℃): 1.2428

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 9

5. Boiling point (ºC, normal pressure): 146～147

6. Boiling point (ºC, 0.266KPa): 169

7. Refractive index: Undetermined

8. Flash point (ºC): >79

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC) : Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14 . Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19 . Solubility: Hardly soluble in water, easily soluble in most organic solvents.

Toxicological data

1. Acute toxicity: Rat oral LD50: 500～1000mg/kg

Mouse oral LD5O: 375mg/kg

Rabbit isLD5O: 1400mg/kg

Carp LC5O: 40mg/L(48h)

Ecological data

This substance is harmful to the environment and it is recommended not to let it enter the environment. Special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 67.63

2. Molar volume (cm³/mol): 226.2

3. Isotonic specific volume (90.2K) :554.2

4. Surface tension (dyne/cm): 36.0

5. Polarizability (10-24cm3): 26.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 236

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides and alkalis.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. In winter, antifreeze work should be done to prevent freezing. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. First, phenol is chlorinated to generate 2,4-dichlorophenol. After neutralization with an alkaline solution, it undergoes a condensation reaction with sodium chloroacetate to generate 2,4-D sodium salt. After acidification, it is esterified with butanol. The chemical reaction is obtained. Raw material consumption quota: phenol 480kg/t, chloroacetic acid 510kg/t, butanol 320kg/t, liquid chlorine 720kg/t, hydrochloric acid (30%) 520kg/t, liquid alkali (100%) 630kg/t.

2. The synthesis of 2,4-D is first to synthesize sodium phenolate and sodium chloroacetate, and then the two are condensed, and the reaction is at 110~120℃ Carry out, the reaction process keeps the solution slightly alkaline, and the feeding ratio of monochloroacetic acid and phenol is 1:1.16. Then a chlorination reaction is carried out, using chlorine gas as the chlorinating agent, and the reaction temperature is 92 to 98°C.

3. 2,4-Dibutyl ester Synthesis Add wet2,4- drops to a certain amount of butanol under stirring, raise the temperature to 120~140℃, keep for 4h, fully dehydrate, and Alcohol refluxes. When the water level in the separator no longer rises, stop the reflux, raise the temperature to 160-170°C, and steam out the butanol under reduced pressure.

Purpose

1. Used as agricultural herbicide.

2.Broad-spectrum, hormonal herbicide with good spreading and systemic properties. Usually used in paddy fields and wheat fields, etc., mainly to control dicotyledonous weeds, heterosexual weeds and certain malignant weeds in grass fields, such as duckweed, eye cabbage, small three-edge grass, polygonum, wheatgrass, and ragweed. Grass, amaranth, pigweed, etc.

3,5-Dichlorobenzoic acid

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	014Q
Molecular formula	C7H4Cl2O2
Molecular weight	191.01
label	3,5-Dichlorobenzoic acid, Benzoic acid, 3,5-dichloro-

Numbering system

CAS number:51-36-5

MDL number:MFCD00002494

EINECS number:200-092-4

RTECS number:DG7350000

BRN number:2044776

PubChem number:24861653

Physical property data

1. Properties: brown powder.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 188

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 250mg/kg; mouse abdominal LD50: 237mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 10

6. Topological molecular polar surface area (TPSA): 101

p>

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 786

10. Number of isotope atoms ：0

11. Determine the atomic stereocenter��Number: 7

12. Number of uncertain atomic stereocenters: 0

13. Number of determined chemical bond stereocenters: 0

14. No Determine the number of stereocenters of chemical bonds: 0

15, the number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

2,4-Dichlorophenoxyacetic acid

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	0285
Molecular formula	C8H6Cl2O3
Molecular weight	221.04
label	2,4-Dichlorophenoxyacetic acid, (2,4-Dichlorophenoxy)acetic acid, Two to four drops of 2,4-D acid, (2,4-dichlorophenoxy)-Acetic acid, herbicide

Numbering system

CAS number:94-75-7

MDL number:MFCD00004300

EINECS number:202-361-1

RTECS number:AG6825000

BRN number:1214242

PubChem number:24868891

Physical property data

1. Properties: White to yellow, crystal powder, odorless, industrial product with slight phenol smell.

2. Density (g/mL, 20℃): 1.563

3. Relative vapor density (g/mL, air=1): 7.63

4. Melting point (ºC): 138

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 0.05KPa): 160

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, 160ºC ): 0.053

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined Determined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water, slightly soluble in oil, soluble in ethanol, etc.

Toxicological data

1. Acute toxicity: Rat oral LD50: 666-1313mg/kg

Mouse oral LD5O: 375mg/kg

Rat dermal LD5O: 1500mg/ kg

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 48.91

2. Molar volume (cm³/mol): 148.4

3. Isotonic specific volume (90.2K ): 397.2

4. Surface tension (dyne/cm): 51.2

5. Polarizability (10-24cm3): 19.39

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7.Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 186

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides and alkalis.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. First chlorine phenol to prepare 2,4-dichlorophenol. The latter is condensed with chloroacetic acid in the presence of sodium hydroxide to form 2,4-D sodium salt, which is then acidified to form 2,4-D original salt. medicine. Another new process is obtained by condensing phenol and chloroacetic acid under alkaline conditions and then chlorinating it.

2. 2,4-Dichlorophenoxyacetic acid sodium is prepared by heating and refluxing 2,4-dichlorophenol and monochloroacetic acid in NaOH solution, and then acidifying it with hydrochloric acid.

3. Using phenol as raw material, the product can be obtained by first condensation with chloroacetic acid and then chlorination, or by first chlorination and then condensation with chloroacetic acid. (1) Condensation first and then chlorination process. Place the phenol in the reaction kettle, heat and melt it, add 2.2 times (molar ratio) of sodium hydroxide and 1.2 times (molar ratio) of chloroacetic acid, and react at 100-110°C for 30 minutes. After the reactants are cooled and neutralized with hydrochloric acid, phenoxyacetic acid can be precipitated with a yield of more than 82%.
Phenoxyacetic acid is slowly introduced into 1.4-1.6 times (molar ratio) of chlorine gas at 65-90°C, and the chlorination product is 2,4-difluorophenoxyacetic acid, with a yield of 89%.
(2) Chlorination first and then condensation process. Place the molten phenol in a chlorinator and pass chlorine at 45-65°C for about 8-9 hours. The chlorination reaction ends when the relative density of the reaction material reaches 1.406 (40°C). Add 30% sodium hydroxide solution to the reactant while it is hot. After heating to boiling, add sodium chloroacetate solution dropwise and reflux for 4-5 hours. After cooling slightly, neutralize to pH 1-3 with 30% hydrochloric acid. Add benzene to extract while hot, and separate the organic layer. After cooling, white crystals precipitate, and the finished product is obtained through suction filtration and drying.

4. Using phenol as raw material, the product can be obtained by first condensation with chloroacetic acid and then chlorination, or by first chlorination and then condensation with chloroacetic acid.
Condensation first and then chlorination process
Place phenol in the reactor, heat and melt, add 2.2 times (molar ratio) of sodium hydroxide and 1.2 times (molar ratio) of chloroacetic acid, and React at 100~110°C for 30 minutes. After the reactants are cooled and neutralized with hydrochloric acid, phenoxyacetic acid can be precipitated with a yield of more than 82%.
Phenoxyacetic acid is slowly passed into 1.4 to 1.6 times (molar ratio) of chlorine at 65~90°C. The chlorination product is 2,4-dichlorophenoxyacetic acid, with a yield of 89%.
Chlorination first and then condensation process
Place the molten phenol in a chlorinator and pass chlorine at 45-65°C for about 8-9 hours. When the relative density of the reaction material reaches 1.406 (40°C) The chlorination reaction is completed. Add 30% sodium hydroxide solution to the reactant while it is hot. After heating to boiling, add sodium chloroacetate solution dropwise and reflux for 4 to 5 hours. After cooling slightly, neutralize with 30% hydrochloric acid to a Ph value of 1 to 3. Add benzene to extract while hot, and separate the organic layer. After cooling, white crystals precipitate, and the finished product is obtained by suction filtration and drying.

Purpose

It is used as a herbicide and plant growth agent in agriculture, and is often processed into sodium salt, ammonium salt or ester liquids, powders, emulsions, ointments, etc.

L-4-Hydroxyproline

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	014P
Molecular formula	C5H9NO3
Molecular weight	131.13
label	L-Hydroxyproline, 4-hydroxy-2-carboxypyrrolidine, trans-4-hydroxy-L-proline, (-)-(2S,4R)-4-Hydroxyproline, 4-Hydroxy-2-pyrrolidinecarboxylin acid, intermediates, Biochemical reagents

Numbering system

CAS number:51-35-4

MDL number:MFCD00064320

EINECS number:200-091-9

RTECS number:TW3586500

BRN number:81441

PubChem number:24880041

Physical property data

1. Properties: colorless rhombus or needle-shaped crystals. Optically active.

2. Density (g/mL, 25/4℃): 1.395

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 274

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): [α]_D-76.5° (C=2.5, in water)

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure ( kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient relationship Value: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Solubility in water: 288.6g/L at 0℃, 361.1g/L at 25℃, 451.8g/L at 50℃, 516.7g/L at 65℃. Very slightly soluble in ethanol, insoluble in ether.

Toxicological data

1. Mutagenicity: sister chromatids exchangeTEST system: human lymphocytes: 10mgL

Ecological data

None

Molecular structure data

1. Molar refractive index: 29.49

2. Molar volume (cm³/mol): 93.9

3. Isotonic specific volume (90.2K ): 263.9

4. Surface tension (dyne/cm): 62.2

5. Polarizability (10-24cm3): 11.69

Computing chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -3.3

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 69.6

p>

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 125

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Found in tobacco leaves.

Storage method

1. Protect from light and store in a sealed container.

Synthesis method

None

Purpose

Used as biochemical reagents.

Isoproterenol hydrochloride

Published by BDMAEE on 2024-04-28 | Permalink

Structural formula

Business number	014N
Molecular formula	C11H17NO3HCl
Molecular weight	247.72
label	Isoproterenol hydrochloride, 4-[(2-Isopropylamino-1-hydroxy)ethyl]-1,2-benzenediol hydrochloride, (±)-Isoproterenol hydrochloride, N-Isopropyl-DL-noradrenaline hydrochloride, 1-(3′,4′-Dihydroxyphenyl)-2-isopropylaminoethanol hydrochloride

Numbering system

CAS number:51-30-9

MDL number:MFCD00012603

EINECS number:200-089-8

RTECS number:DO1925000

BRN number:3917363

PubChem number:24277780

Physical property data

1. Appearance: white powder

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature ( ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 58.55

2. Molar volume (cm³/mol): 176.0

3. Isotonic specific volume (90.2K ): 473.9

4. Surface tension (dyne/cm): 52.5

5. Polarizability (10-24cm3): 52.5

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 10

6. Topological molecule polar surface area 72.7

7. Number of heavy atoms: 16

8.Surface charge: 0

9. Complexity: 187

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters :0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dark place.

Synthesis method

Made with catechol as raw material

Purpose

It can relax bronchial smooth muscle, strengthen heart contraction and improve heart block. It is used to treat bronchial asthma, cardiac arrest, atrioventricular conduction block and poisoning shock. It is contraindicated in patients with angina pectoris, myocardial infarction, and hyperthyroidism.